CHALCOMYCIN
TL;DR: CHALCOMYCIN (CAS 20283-48-1) is a chemical compound with molecular formula C35H56O14 and molecular weight 700.37 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
12-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione
Also Known As: CHALCOMYCIN, 12-Hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione, 5-hydroxy-15-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-8-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-5,7,9,14-tetramethyl-13,17-dioxabicyclo[14.1.0]heptadeca-2,10-diene-4,12-dione
| Molecular Formula | C35H56O14 |
|---|---|
| Molecular Weight | 700.37 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 181.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 8 |
| Exact Mass | 700.367 |
| Heavy Atoms | 49 |
| Complexity | 1160.0 |
Chemical Identifiers
| CAS Number | 20283-48-1 |
|---|---|
| SMILES | CC1CC(C(C(O1)OC2C(CC(C(=O)C=CC3C(O3)C(C(OC(=O)C=CC2C)C)COC4C(C(C(C(O4)C)O)OC)OC)(C)O)C)O)OC |
| InChIKey | KLGADJPDTCIJLO-UHFFFAOYSA-N |
Product Overview
CHALCOMYCIN (CAS 20283-48-1), with molecular formula C35H56O14 and molecular weight 700.37 g/mol. IUPAC: 12-hydroxy-2-[(5-hydroxy-3,4-dimethoxy-6-methyloxan-2-yl)oxymethyl]-9-(3-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,8,10,12-tetramethyl-4,17-dioxabicyclo[14.1.0]heptadeca-6,14-diene-5,13-dione.
Chemical Property Profile of CHALCOMYCIN
Property Insights of CHALCOMYCIN
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CHALCOMYCIN. The TPSA of 181.0 Ų indicates high polarity, suggesting CHALCOMYCIN may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, CHALCOMYCIN has 3 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CHALCOMYCIN?
The CAS number of CHALCOMYCIN is 20283-48-1.
What is the molecular formula of CHALCOMYCIN?
The molecular formula of CHALCOMYCIN is C35H56O14.
What is the molecular weight of CHALCOMYCIN?
The molecular weight of CHALCOMYCIN is 700.37 g/mol.
Where can I buy CHALCOMYCIN?
You can request a quote for CHALCOMYCIN directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CHALCOMYCIN?
Yes, KEHONG BIO provides custom synthesis services for CHALCOMYCIN and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.